N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide

C18H23N3O2S — CID 94821178

IUPACN-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1
InChIInChI=1S/C18H23N3O2S/c1-13-7-8-16(23-13)15(21-10-3-4-11-21)12-20-17(22)14-6-5-9-19-18(14)24-2/h5-9,15H,3-4,10-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyQFCZRXQEXHYCJM-OAHLLOKOSA-N
MW345.47 g/mol
LogP3.27
Rot. Bonds6

About N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 94821178) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID94821178
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1
InChIInChI=1S/C18H23N3O2S/c1-13-7-8-16(23-13)15(21-10-3-4-11-21)12-20-17(22)14-6-5-9-19-18(14)24-2/h5-9,15H,3-4,10-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyQFCZRXQEXHYCJM-OAHLLOKOSA-N
XLogP3.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 95283314
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
2-(difluoromethylsulfanyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 18161411
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 120646001
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 34672602
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrazol-1-ylpropanamide
CID 164640535
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 94821178) is N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is QFCZRXQEXHYCJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-7-8-16(23-13)15(21-10-3-4-11-21)12-20-17(22)14-6-5-9-19-18(14)24-2/h5-9,15H,3-4,10-12H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 94821178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).